amitriptyline

Ligand id: 200

Name: amitriptyline

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 3.24
Molecular weight 277.18
XLogP 4.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1961))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
dimethyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]propyl})amine
International Nonproprietary Names
INN number INN
976 amitriptyline
Synonyms
amitryptiline | Elavil® | Endep®
Comments
Amitriptyline is a tricyclic antidepressant (TCA).
Database Links
BindingDB Ligand 50020712
CAS Registry No. 50-48-6
ChEBI CHEBI:2666
ChEMBL Ligand CHEMBL629
DrugBank Ligand DB00321
GtoPdb PubChem SID 135649939
PubChem CID 2160
RCSB PDB Ligand TP0
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Wikipedia Amitriptyline